3PGF
Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2010-06-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.07817 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 63.870, 228.460, 135.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.070 - 2.100 |
R-factor | 0.17903 |
Rwork | 0.177 |
R-free | 0.22664 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 1ANF and 2R8S |
RMSD bond length | 0.025 |
RMSD bond angle | 1.954 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
Rmerge | 0.060 | 0.029 | 0.516 |
Number of reflections | 74893 | ||
<I/σ(I)> | 12.2 | ||
Completeness [%] | 85.2 | 98.3 | 39.7 |
Redundancy | 4.5 | 4.7 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 19% PEG 3400, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |